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(R,R,R)-5-(2,7-Dioxabicyclo[3.2.1]octan-8-ylmethyl)benzo[d][1,3]dioxole

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(R,R,R)-5-(2,7-Dioxabicyclo[3.2.1]octan-8-ylmethyl)benzo[d][1,3]dioxole
SpectraBase Compound ID JbSD0OdkpAT
InChI InChI=1S/C14H16O4/c1-2-12-13(18-8-17-12)6-9(1)5-11-10-3-4-15-14(11)16-7-10/h1-2,6,10-11,14H,3-5,7-8H2/t10-,11+,14+/m0/s1
InChIKey JFZWFFWDBPKDFZ-MISXGVKJSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JmkwKfP99dh
Name (R,R,R)-5-(2,7-Dioxabicyclo[3.2.1]octan-8-ylmethyl)benzo[D][1,3]dioxole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.104858991 u
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-2-12-13(18-8-17-12)6-9(1)5-11-10-3-4-15-14(11)16-7-10/h1-2,6,10-11,14H,3-5,7-8H2/t10-,11+,14+/m0/s1
InChIKey JFZWFFWDBPKDFZ-MISXGVKJSA-N
Molecular Weight 248.278 g/mol
SMILES [C@@]12(OCC[C@](CO2)([H])[C@]1(CC1=CC=C2C(=C1)OCO2)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96392